4-(2-dodecyltetradecanoyloxy)-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 4-(2-dodecyltetradecanoyloxy)-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-(2-dodecyltetradecanoyloxy)-4-oxo-3-sulfo-butanoic acid CAS Name: 4-(2-dodecyl-1-oxotetradecoxy)-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-(2-dodecyltetradecanoyloxy)-4-oxo-3-sulfobutanoic acid Traditional Name: 4-keto-4-(2-lauryltetradecanoyloxy)-3-sulfo-butyric acid Formula: C30H56O8S MolecularWeight: 576.82584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)OC(=O)C(CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)OC(=O)C(CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C30H56O8S/c1-3-5-7-9-11-13-15-17-19-21-23-26(24-22-20-18-16-14-12-10-8-6-4-2)29(33)38-30(34)27(25-28(31)32)39(35,36)37/h26-27H,3-25H2,1-2H3,(H,31,32)(H,35,36,37)